(2-phenyl-1,3-thiazol-4-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-3-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylnipecotic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O5S2/c1-14-19(15(2)29-23-14)31(26,27)24-10-6-9-17(11-24)21(25)28-12-18-13-30-20(22-18)16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3